SCHEMBL4017269

SCHEMBL4017269

CC(C)(C(=O)Nc1nc(-c2ccc(F)cc2)cs1)S(=O)(=O)CC1CCOCC1.CCC(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.50
CNR1 P21554 2/20 0.50
GCK P35557 3/20 0.49
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.38
CAPN1 P07384 2/20 0.37
NPY5R Q15761 1/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 1/20 0.37
WNT3A P56704 1/20 0.36
CCNK O75909 1/20 0.36
CDK9 P50750 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1621441 0.87 GCK (0.58) CNR2CNR1GCKLMNAPOLB
SCHEMBL1621202 0.84 CNR2 (0.68) CNR2CNR1
SCHEMBL1619354 0.79 KMT2A (0.52) CNR2CNR1GCKLMNAPOLB
SCHEMBL1621081 0.79 GCK (0.57) CNR2CNR1GCKLMNAKMT2A
SCHEMBL1619362 0.79 GCK (0.49) CNR2CNR1GCKLMNAKMT2A
SCHEMBL1621541 0.78 CNR2 (0.71) CNR2CNR1LMNAALDH1A1
SCHEMBL10217207 0.78 GCK (0.59) CNR2CNR1GCKLMNAKMT2A
SCHEMBL4010121 0.75 CNR2 (0.54) CNR2CNR1LMNAPOLBKMT2A
SCHEMBL1621098 0.74 HTT (0.51) CNR2CNR1GCKLMNAPOLB
SCHEMBL4011458 0.73 GCK (0.51) CNR2CNR1GCKLMNAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO disclosed